| CAS Number | 58959-93-6 |
| Catalog Number | AG00EKQC(AGN-PC-0WOB3W) |
| Chemical Name | 2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine |
| IUPAC Name | 2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine |
| InChI | InChI=1S/C10H13NO/c1-7-3-4-10-9(5-7)11-6-8(2)12-10/h3-5,8,11H,6H2,1-2H3 |
| InChI Key | DDPNTMHBTQBGAG-UHFFFAOYSA-N |
| MDL Number | MFCD11603425 |
| Molecular Formula | C10H13NO |
| Molecular Weight | 163.2163 |
| SMILES | CC1OC2=C(C=C(C=C2)C)NC1 |
| Synonyms | 2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine,
58959-93-6,
AKOS006316616,
MCULE-9574649513,
NE15203,
Z1333873118,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.22g/mol |
| Monoisotopic Mass | 163.1g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number